(5R)-N-(3-cyanophenyl)-9-(furan-2-carbonyl)-2,9-diazaspiro[4.5]decane-2-carboxamide

C21H22N4O3 — CID 3234690

IUPAC(5R)-N-(3-cyanophenyl)-9-(furan-2-carbonyl)-2,9-diazaspiro[4.5]decane-2-carboxamide
SMILESN#Cc1cccc(NC(=O)N2CC[C@@]3(CCCN(C(=O)c4ccco4)C3)C2)c1
InChIInChI=1S/C21H22N4O3/c22-13-16-4-1-5-17(12-16)23-20(27)25-10-8-21(15-25)7-3-9-24(14-21)19(26)18-6-2-11-28-18/h1-2,4-6,11-12H,3,7-10,14-15H2,(H,23,27)/t21-/m1/s1
InChIKeyNYPJUDRQNLROCS-OAQYLSRUSA-N
MW378.43 g/mol
LogP3.31
Rot. Bonds2

About (5R)-N-(3-cyanophenyl)-9-(furan-2-carbonyl)-2,9-diazaspiro[4.5]decane-2-carboxamide

(5R)-N-(3-cyanophenyl)-9-(furan-2-carbonyl)-2,9-diazaspiro[4.5]decane-2-carboxamide (PubChem CID 3234690) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is (5R)-N-(3-cyanophenyl)-9-(furan-2-carbonyl)-2,9-diazaspiro[4.5]decane-2-carboxamide.

Molecular Properties

Compound Name(5R)-N-(3-cyanophenyl)-9-(furan-2-carbonyl)-2,9-diazaspiro[4.5]decane-2-carboxamide
PubChem CID3234690
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC Name(5R)-N-(3-cyanophenyl)-9-(furan-2-carbonyl)-2,9-diazaspiro[4.5]decane-2-carboxamide
SMILESN#Cc1cccc(NC(=O)N2CC[C@@]3(CCCN(C(=O)c4ccco4)C3)C2)c1
InChIInChI=1S/C21H22N4O3/c22-13-16-4-1-5-17(12-16)23-20(27)25-10-8-21(15-25)7-3-9-24(14-21)19(26)18-6-2-11-28-18/h1-2,4-6,11-12H,3,7-10,14-15H2,(H,23,27)/t21-/m1/s1
InChIKeyNYPJUDRQNLROCS-OAQYLSRUSA-N
XLogP3.31
TPSA89.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5R)-N-(3-cyanophenyl)-9-(furan-2-carbonyl)-2,9-diazaspiro[4.5]decane-2-carboxamide?
The IUPAC name of (5R)-N-(3-cyanophenyl)-9-(furan-2-carbonyl)-2,9-diazaspiro[4.5]decane-2-carboxamide (CID 3234690) is (5R)-N-(3-cyanophenyl)-9-(furan-2-carbonyl)-2,9-diazaspiro[4.5]decane-2-carboxamide.
What is the SMILES notation for (5R)-N-(3-cyanophenyl)-9-(furan-2-carbonyl)-2,9-diazaspiro[4.5]decane-2-carboxamide?
The canonical SMILES for (5R)-N-(3-cyanophenyl)-9-(furan-2-carbonyl)-2,9-diazaspiro[4.5]decane-2-carboxamide is N#Cc1cccc(NC(=O)N2CC[C@@]3(CCCN(C(=O)c4ccco4)C3)C2)c1.
What is the InChIKey of (5R)-N-(3-cyanophenyl)-9-(furan-2-carbonyl)-2,9-diazaspiro[4.5]decane-2-carboxamide?
The InChIKey is NYPJUDRQNLROCS-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H22N4O3/c22-13-16-4-1-5-17(12-16)23-20(27)25-10-8-21(15-25)7-3-9-24(14-21)19(26)18-6-2-11-28-18/h1-2,4-6,11-12H,3,7-10,14-15H2,(H,23,27)/t21-/m1/s1.
What are the key properties of (5R)-N-(3-cyanophenyl)-9-(furan-2-carbonyl)-2,9-diazaspiro[4.5]decane-2-carboxamide?
(5R)-N-(3-cyanophenyl)-9-(furan-2-carbonyl)-2,9-diazaspiro[4.5]decane-2-carboxamide has a molecular weight of 378.43 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-N-(3-cyanophenyl)-9-(furan-2-carbonyl)-2,9-diazaspiro[4.5]decane-2-carboxamide is sourced from PubChem (CID 3234690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).